SCHEMBL5840984

SCHEMBL5840984

NC(=O)NCCc1nn[nH]n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.50
KDM4A O75164 1/20 0.50
KDM5A P29375 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
NAALAD2 Q9Y3Q0 2/20 0.46
PLAU P00749 2/20 0.44
EPHX2 P34913 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HTT P42858 1/20 0.40
CTH P32929 1/20 0.39
ITGB3 P05106 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5841196 0.88 EPHX2 (0.56) KDM6BKDM4AKDM5AL3MBTL1ALDH1A1
SCHEMBL5840696 0.87 L3MBTL1 (0.59) KDM6BKDM4AKDM5AL3MBTL1ALDH1A1
SCHEMBL17024865 0.84 NAALAD2 (0.51) KDM6BKDM4AKDM5AL3MBTL1ALDH1A1
SCHEMBL5840981 0.82 NAALAD2 (0.50) KDM6BKDM4AKDM5AL3MBTL1ALDH1A1
SCHEMBL17038775 0.79 L3MBTL1 (0.46) KDM6BKDM4AKDM5AL3MBTL1ALDH1A1
SCHEMBL1467959 0.74 NPSR1 (0.51) KDM6BKDM4AKDM5AL3MBTL1ALDH1A1
SCHEMBL19487325 0.74 NAALAD2 (0.43) KDM6BKDM4AKDM5AL3MBTL1ALDH1A1
SCHEMBL5841190 0.71 EPHX2 (0.56) KDM6BKDM4AKDM5AL3MBTL1ALDH1A1
SCHEMBL5591576 0.71
SCHEMBL9986002 0.71 L3MBTL1 (0.79) KDM6BKDM4AKDM5AL3MBTL1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100412073-C Novel thiophenecarboxamidines, compositions thereof, and methods of treating complement-mediated diseases and conditions DIMENSIONAL PHARM INC (US) 2008-08-20 CN claimed
US-7138530-B2 Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-11-21 US claimed
EP-1549632-A4 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS DIMENSIONAL PHARM INC (US) 2005-11-09 EP claimed
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions SUBASINGHE NALIN 2005-10-20 US claimed
CN-1665800-A Novel thiophenecarboxamidines, compositions thereof, and methods of treating complement-mediated diseases and conditions DIMENSIONAL PHARM INC (US) 2005-09-07 CN claimed
EP-1549632-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-07-06 EP claimed
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-15 US claimed
WO-2003099805-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-12-04 WO claimed
CN-100412073-C Novel thiophenecarboxamidines, compositions thereof, and methods of treating complement-mediated diseases and conditions DIMENSIONAL PHARM INC (US) 2008-08-20 CN disclosed
US-7138530-B2 Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-11-21 US disclosed
US-7109354-B2 Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
EP-1549632-A4 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS DIMENSIONAL PHARM INC (US) 2005-11-09 EP disclosed
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions SUBASINGHE NALIN 2005-10-20 US disclosed
CN-1665800-A Novel thiophenecarboxamidines, compositions thereof, and methods of treating complement-mediated diseases and conditions DIMENSIONAL PHARM INC (US) 2005-09-07 CN disclosed
EP-1549632-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-07-06 EP disclosed
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-15 US disclosed
WO-2003099805-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-12-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R KDM6B 4612/4885KDM4A 4512/4885KDM5A 4399/4885
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R KDM6B 4861/4885KDM4A 4804/4885KDM5A 4770/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.